1'-(5,6-dimethylpyrimidin-4-yl)-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]

C23H25N5 — CID 135087221

IUPAC1'-(5,6-dimethylpyrimidin-4-yl)-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
SMILESCc1ncnc(N2CCCC3(CCc4cnc(-c5ccccc5)nc43)C2)c1C
InChIInChI=1S/C23H25N5/c1-16-17(2)25-15-26-22(16)28-12-6-10-23(14-28)11-9-19-13-24-21(27-20(19)23)18-7-4-3-5-8-18/h3-5,7-8,13,15H,6,9-12,14H2,1-2H3
InChIKeyNWKMYGDOAPILNR-UHFFFAOYSA-N
MW371.49 g/mol
LogP4.03
Rot. Bonds2

About 1'-(5,6-dimethylpyrimidin-4-yl)-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]

1'-(5,6-dimethylpyrimidin-4-yl)-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine] (PubChem CID 135087221) has the molecular formula C23H25N5 and a molecular weight of 371.49 g/mol. Its IUPAC name is 1'-(5,6-dimethylpyrimidin-4-yl)-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine].

Molecular Properties

Compound Name1'-(5,6-dimethylpyrimidin-4-yl)-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
PubChem CID135087221
Molecular FormulaC23H25N5
Molecular Weight371.49 g/mol
Exact Mass371.21
IUPAC Name1'-(5,6-dimethylpyrimidin-4-yl)-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
SMILESCc1ncnc(N2CCCC3(CCc4cnc(-c5ccccc5)nc43)C2)c1C
InChIInChI=1S/C23H25N5/c1-16-17(2)25-15-26-22(16)28-12-6-10-23(14-28)11-9-19-13-24-21(27-20(19)23)18-7-4-3-5-8-18/h3-5,7-8,13,15H,6,9-12,14H2,1-2H3
InChIKeyNWKMYGDOAPILNR-UHFFFAOYSA-N
XLogP4.03
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1'-(5,6-dimethylpyrimidin-4-yl)-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine] with MolForge

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Related Compounds

1'-(5-ethylpyrimidin-2-yl)-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
CID 135104197
1'-ethyl-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
CID 135095074
5-ethyl-3-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-1,2,4-oxadiazole
CID 135109701
2-ethyl-5-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-1,3,4-oxadiazole
CID 164696893
(1-methylcyclopropyl)-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
CID 135098601
1'-(2-methylsulfonylethyl)-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
CID 135114610
1'-[(5-methylfuran-2-yl)methyl]-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
CID 135089616
(4-methyl-1,3-thiazol-5-yl)-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
CID 135097209
2-amino-2-methyl-1-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)propan-1-one
CID 135098790
2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-N-propan-2-ylpyridine-4-carboxamide
CID 135096925
N-[2-oxo-2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethyl]methanesulfonamide
CID 135106933
N,N-dimethyl-4-oxo-4-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)butanamide
CID 163317731

Frequently Asked Questions

What is the IUPAC name of 1'-(5,6-dimethylpyrimidin-4-yl)-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]?
The IUPAC name of 1'-(5,6-dimethylpyrimidin-4-yl)-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine] (CID 135087221) is 1'-(5,6-dimethylpyrimidin-4-yl)-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine].
What is the SMILES notation for 1'-(5,6-dimethylpyrimidin-4-yl)-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]?
The canonical SMILES for 1'-(5,6-dimethylpyrimidin-4-yl)-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine] is Cc1ncnc(N2CCCC3(CCc4cnc(-c5ccccc5)nc43)C2)c1C.
What is the InChIKey of 1'-(5,6-dimethylpyrimidin-4-yl)-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]?
The InChIKey is NWKMYGDOAPILNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5/c1-16-17(2)25-15-26-22(16)28-12-6-10-23(14-28)11-9-19-13-24-21(27-20(19)23)18-7-4-3-5-8-18/h3-5,7-8,13,15H,6,9-12,14H2,1-2H3.
What are the key properties of 1'-(5,6-dimethylpyrimidin-4-yl)-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]?
1'-(5,6-dimethylpyrimidin-4-yl)-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine] has a molecular weight of 371.49 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(5,6-dimethylpyrimidin-4-yl)-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine] is sourced from PubChem (CID 135087221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).